(E)-1,4-bis(ethenylsulfonyl)but-2-ene

C8H12O4S2 — CID 21424243

IUPAC(E)-1,4-bis(ethenylsulfonyl)but-2-ene
SMILESC=CS(=O)(=O)C/C=C/CS(=O)(=O)C=C
InChIInChI=1S/C8H12O4S2/c1-3-13(9,10)7-5-6-8-14(11,12)4-2/h3-6H,1-2,7-8H2/b6-5+
InChIKeySWYQIQILZOTYIK-AATRIKPKSA-N
MW236.31 g/mol
LogP0.66
Rot. Bonds6

About (E)-1,4-bis(ethenylsulfonyl)but-2-ene

(E)-1,4-bis(ethenylsulfonyl)but-2-ene (PubChem CID 21424243) has the molecular formula C8H12O4S2 and a molecular weight of 236.31 g/mol. Its IUPAC name is (E)-1,4-bis(ethenylsulfonyl)but-2-ene.

Molecular Properties

Compound Name(E)-1,4-bis(ethenylsulfonyl)but-2-ene
PubChem CID21424243
Molecular FormulaC8H12O4S2
Molecular Weight236.31 g/mol
Exact Mass236.02
IUPAC Name(E)-1,4-bis(ethenylsulfonyl)but-2-ene
SMILESC=CS(=O)(=O)C/C=C/CS(=O)(=O)C=C
InChIInChI=1S/C8H12O4S2/c1-3-13(9,10)7-5-6-8-14(11,12)4-2/h3-6H,1-2,7-8H2/b6-5+
InChIKeySWYQIQILZOTYIK-AATRIKPKSA-N
XLogP0.66
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1,4-bis(ethenylsulfonyl)but-2-ene?
The IUPAC name of (E)-1,4-bis(ethenylsulfonyl)but-2-ene (CID 21424243) is (E)-1,4-bis(ethenylsulfonyl)but-2-ene.
What is the SMILES notation for (E)-1,4-bis(ethenylsulfonyl)but-2-ene?
The canonical SMILES for (E)-1,4-bis(ethenylsulfonyl)but-2-ene is C=CS(=O)(=O)C/C=C/CS(=O)(=O)C=C.
What is the InChIKey of (E)-1,4-bis(ethenylsulfonyl)but-2-ene?
The InChIKey is SWYQIQILZOTYIK-AATRIKPKSA-N. The full InChI is InChI=1S/C8H12O4S2/c1-3-13(9,10)7-5-6-8-14(11,12)4-2/h3-6H,1-2,7-8H2/b6-5+.
What are the key properties of (E)-1,4-bis(ethenylsulfonyl)but-2-ene?
(E)-1,4-bis(ethenylsulfonyl)but-2-ene has a molecular weight of 236.31 g/mol, XLogP of 0.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,4-bis(ethenylsulfonyl)but-2-ene is sourced from PubChem (CID 21424243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).